SCHEMBL5565736

SCHEMBL5565736

O=C(NCc1nccc(Br)c1Cl)c1c(Cl)ccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.34
PIK3CD O00329 1/20 0.33
SLC6A9 P48067 1/20 0.32
TACR1 P25103 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6030405 0.76 P2RX7 (0.43) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4614052 0.75 KMT2A (0.39) POLBKMT2AMEN1NPC1HPGD
SCHEMBL6480960 0.74 POLB (0.40) POLBKMT2AMEN1NPC1HPGD
SCHEMBL28048682 0.72 POLB (0.52) POLBNPC1HPGDALDH1A1CYP1A2
SCHEMBL6031065 0.72 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL319697 0.71 KMT2A (0.41) POLBKMT2AMEN1NPC1HPGD
SCHEMBL28716532 0.70 WDR5 (0.44) POLBKMT2AMEN1NPC1HPGD
SCHEMBL29493339 0.70 WDR5 (0.44) POLBKMT2AMEN1NPC1HPGD
SCHEMBL4614047 0.70 CNR2 (0.35) POLBNPC1HPGDALDH1A1LMNA
SCHEMBL23500849 0.69 HPGD (0.42) POLBKMT2AMEN1HPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773776-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
WO-2006008191-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed